1-(1-methyl-2H-pyridin-2-yl)ethanone

C8H11NO — CID 67183736

IUPAC1-(1-methyl-2H-pyridin-2-yl)ethanone
SMILESCC(=O)C1C=CC=CN1C
InChIInChI=1S/C8H11NO/c1-7(10)8-5-3-4-6-9(8)2/h3-6,8H,1-2H3
InChIKeyNFXQABBXMUCOJV-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds1

About 1-(1-methyl-2H-pyridin-2-yl)ethanone

1-(1-methyl-2H-pyridin-2-yl)ethanone (PubChem CID 67183736) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(1-methyl-2H-pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2H-pyridin-2-yl)ethanone
PubChem CID67183736
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(1-methyl-2H-pyridin-2-yl)ethanone
SMILESCC(=O)C1C=CC=CN1C
InChIInChI=1S/C8H11NO/c1-7(10)8-5-3-4-6-9(8)2/h3-6,8H,1-2H3
InChIKeyNFXQABBXMUCOJV-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2H-pyridin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-2H-pyridin-2-yl)ethanone (CID 67183736) is 1-(1-methyl-2H-pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2H-pyridin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2H-pyridin-2-yl)ethanone is CC(=O)C1C=CC=CN1C.
What is the InChIKey of 1-(1-methyl-2H-pyridin-2-yl)ethanone?
The InChIKey is NFXQABBXMUCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(10)8-5-3-4-6-9(8)2/h3-6,8H,1-2H3.
What are the key properties of 1-(1-methyl-2H-pyridin-2-yl)ethanone?
1-(1-methyl-2H-pyridin-2-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2H-pyridin-2-yl)ethanone is sourced from PubChem (CID 67183736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).